Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 8/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | KDM5A | P29375 | 1/20 | 0.54 |
| ▸ | JMJD1C | Q15652 | 1/20 | 0.54 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.54 |
| ▸ | ASPH | Q12797 | 2/20 | 0.53 |
| ▸ | KDM8 | Q8N371 | 2/20 | 0.53 |
| ▸ | RIOX2 | Q8IUF8 | 1/20 | 0.52 |
| ▸ | HTR7 | P34969 | 1/20 | 0.52 |
| ▸ | LDHA | P00338 | 1/20 | 0.52 |
| ▸ | LDHB | P07195 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.51 |
| ▸ | LCK | P06239 | 2/20 | 0.50 |
| ▸ | PLK1 | P53350 | 1/20 | 0.49 |
| ▸ | IDH1 | O75874 | 1/20 | 0.49 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30123472 | 1.00 | MAPK14 (0.56) | MAPK14KDM4EKDM5AJMJD1CKDM3A | |
| SCHEMBL6082153 | 0.89 | MAPK14 (0.54) | MAPK14HTR7HDAC3HDAC1HDAC2 | |
| SCHEMBL20209435 | 0.87 | MAPK14 (0.53) | MAPK14KDM4EASPHKDM8HTR7 | |
| SCHEMBL6081327 | 0.83 | MAPK14 (0.52) | MAPK14HTR7HDAC3HDAC1HDAC2 | |
| SCHEMBL6082367 | 0.81 | MAPK14 (0.50) | MAPK14HTR7HDAC3HDAC1HDAC2 | |
| SCHEMBL6081490 | 0.81 | MAPK14 (0.50) | MAPK14HTR7HDAC3HDAC1HDAC2 | |
| SCHEMBL6081738 | 0.80 | MAPK14 (0.49) | MAPK14HTR7HDAC3HDAC1HDAC2 | |
| SCHEMBL6081874 | 0.78 | MAPK14 (0.47) | MAPK14KDM4EASPHKDM8HTR7 | |
| SCHEMBL14629467 | 0.78 | HTR7 (0.57) | MAPK14HTR7LCKPLK1IDH1 | |
| SCHEMBL7664862 | 0.78 | LCK (0.54) | LCKIDH1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018095344-A1 | ISOCITRATE DEHYDROGENASE (IDH) INHIBITOR | SHANGHAI METON PHARMACEUTICAL CO., LTD (CN) | 2018-05-31 | — | — | WO | disclosed |
| WO-2018095344-A1 | ISOCITRATE DEHYDROGENASE (IDH) INHIBITOR | SHANGHAI METON PHARMACEUTICAL CO., LTD (CN) | 2018-05-31 | — | — | WO | disclosed |